SCHEMBL5488921

SCHEMBL5488921

CC(C)Cc1csc(Nc2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
GAA P10253 4/20 0.57
KMT2A Q03164 4/20 0.57
CSNK2A1 P68400 2/20 0.53
PLK3 Q9H4B4 1/20 0.53
CCR4 P51679 1/20 0.53
MAPT P10636 7/20 0.52
NPC1 O15118 4/20 0.52
ALDH1A1 P00352 3/20 0.52
NFKB1 P19838 3/20 0.52
NFKB2 Q00653 3/20 0.52
RELA Q04206 3/20 0.52
GCK P35557 2/20 0.52
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
KDM4E B2RXH2 1/20 0.49
MMP2 P08253 1/20 0.49
MMP10 P09238 1/20 0.49
MMP9 P14780 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13503715 0.82 RAB9A (0.62) RAB9AGAAKMT2ACSNK2A1PLK3
SCHEMBL3100862 0.82 MAPT (0.55) RAB9AGAAKMT2ACSNK2A1PLK3
SCHEMBL13181102 0.79 ADRB2 (0.59) RAB9AGAAKMT2ACSNK2A1PLK3
SCHEMBL10464778 0.79 GAA (0.57) RAB9AGAAKMT2ACSNK2A1PLK3
SCHEMBL3103783 0.79 GAA (0.57) RAB9AGAAKMT2ACSNK2A1PLK3
SCHEMBL13153208 0.78 CCR4 (0.64) RAB9AGAAKMT2ACSNK2A1PLK3
SCHEMBL10098814 0.78 RAB9A (0.57) RAB9AGAAKMT2ACSNK2A1PLK3
SCHEMBL27812589 0.77 ADRB2 (0.67) RAB9AGAAKMT2ACSNK2A1PLK3
SCHEMBL3911245 0.77 KDM4E (0.54) RAB9AGAAKMT2ACSNK2A1MAPT
SCHEMBL12763763 0.76 ALDH1A1 (0.43) RAB9AGAAKMT2ACSNK2A1CCR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262204-B2 Modulation of CCR4 function AMGEN INC. (US) 2007-08-28 US disclosed
US-7144903-B2 CCR4 antagonists AMGEN INC. (US) 2006-12-05 US disclosed
EP-1578341-A4 MODULATION OF CCR4 FUNCTION TULARIK INC (US) 2005-09-28 EP disclosed
EP-1578341-A2 MODULATION OF CCR4 FUNCTION Tularik Inc. (US) 2005-09-28 EP disclosed
US-20040039035-A1 Modulation of CCR4 function TULARIK INC. 2004-02-26 US disclosed
US-20030018022-A1 Ccr4 antagonists TULARIK INC. 2003-01-23 US disclosed
WO-2002094264-A1 CCR4 ANTAGONISTS TULARIK INC. (US) 2002-11-28 WO disclosed
US-20020173524-A1 Modulation of CCR4 function TULARIK INC. (US) 2002-11-21 US disclosed
WO-2002030358-A2 MODULATION OF CCR4 FUNCTION TULARIK INC. (US) 2002-04-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030018022-A1 Ccr4 antagonists CCR4, CCR1, CCR3 RAB9A 3982/4885GAA 3973/4885KMT2A 4260/4885
US-20020173524-A1 Modulation of CCR4 function CCR4, CCR1, CCR3 RAB9A 3386/4885GAA 4035/4885KMT2A 4488/4885
US-20040039035-A1 Modulation of CCR4 function CCR4, CCR1, CCR3 RAB9A 3386/4885GAA 4035/4885KMT2A 4488/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.